Carbon-13 NMR in conformational analysis of nucleic acid fragments. 3. The magnitude of torsional angle epsilon in d(TpA) from CCOP and HCOP NMR coupling constants

Nucleic Acids Res. 1984 Jul 11;12(13):5419-28. doi: 10.1093/nar/12.13.5419.

Abstract

Carbon-13 NMR spectra of the deoxyribonucleotide d(TpA), 3',5'-cyclic AMP and 3',5'-cyclic dAMP were measured. It is shown that the different substitution of C2' in deoxyribonucleotides versus ribonucleotides does not affect the vicinal C2'-C3'-O3'-P coupling to a measurable extent. Therefore, the same set of Karplus parameters may be used for the C2'-C3-O3'-P couplings in ribonucleotides and in deoxyribonucleotides. Vicinal carbon-phosphorus and proton-phosphorus coupling constants are used to calculate the magnitude of the torsion angle epsilon (C4'-C3'-O3'-P), which amounts to 195(0) in the trans conformer and to 261(0) in the gauche(-) conformer.

Publication types

  • Comparative Study
  • Research Support, Non-U.S. Gov't

MeSH terms

  • Cyclic AMP / analogs & derivatives
  • Deoxyadenosines / analogs & derivatives*
  • Dinucleoside Phosphates*
  • Magnetic Resonance Spectroscopy / methods
  • Nucleic Acid Conformation*
  • Structure-Activity Relationship
  • Terminology as Topic
  • Thymidine Monophosphate* / analogs & derivatives
  • Thymine Nucleotides*

Substances

  • Deoxyadenosines
  • Dinucleoside Phosphates
  • Thymine Nucleotides
  • 2'-deoxy cyclic AMP
  • 2'-deoxythymidylyl-(3'-5')-2'-deoxyadenosine
  • Thymidine Monophosphate
  • Cyclic AMP